CID 294175

3-acetoxyphthalic anhydride

Structural Information

Molecular Formula

C₁₀H₆O₅

SMILES

CC(=O)OC1=CC=CC2=C1C(=O)OC2=O

InChI

InChI=1S/C10H6O5/c1-5(11)14-7-4-2-3-6-8(7)10(13)15-9(6)12/h2-4H,1H3

InChIKey

ZUNFXLSISHZWLF-UHFFFAOYSA-N

Compound name

(1,3-dioxo-2-benzofuran-4-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 206.02153 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	207.02881	138.9
[M+Na]+	229.01075	150.6
[M+NH4]+	224.05535	146.0
[M+K]+	244.98469	148.5
[M-H]-	205.01425	140.3
[M+Na-2H]-	226.99620	142.1
[M]+	206.02098	140.7
[M]-	206.02208	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe